Materials Data on CsNbF6 by Materials Project
Abstract
CsNbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent NbF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (3.19 Å) and six longer (3.43 Å) Cs–F bond lengths. Nb5+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All Nb–F bond lengths are 1.94 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Nb5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-11980
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; CsNbF6; Cs-F-Nb
- OSTI Identifier:
- 1188490
- DOI:
- https://doi.org/10.17188/1188490
Citation Formats
The Materials Project. Materials Data on CsNbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188490.
The Materials Project. Materials Data on CsNbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1188490
The Materials Project. 2020.
"Materials Data on CsNbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1188490. https://www.osti.gov/servlets/purl/1188490. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1188490,
title = {Materials Data on CsNbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsNbF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with six equivalent NbF6 octahedra, edges with six equivalent CsF12 cuboctahedra, and faces with two equivalent NbF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (3.19 Å) and six longer (3.43 Å) Cs–F bond lengths. Nb5+ is bonded to six equivalent F1- atoms to form NbF6 octahedra that share corners with six equivalent CsF12 cuboctahedra and faces with two equivalent CsF12 cuboctahedra. All Nb–F bond lengths are 1.94 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Nb5+ atom.},
doi = {10.17188/1188490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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